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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 376-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
376
Au
16
Si
8
2881.201
377
Au
16
Si
8
2885.547
378
Au
16
Si
8
2888.923
379
Au
16
Si
8
2887.109
380
Au
16
Si
8
2877.824
381
Au
16
Si
8
2882.196
382
Au
16
Si
8
2881.448
383
Au
16
Si
8
2881.441
384
Au
16
Si
8
2883.126
385
Au
16
Si
8
2881.583
386
Au
16
Si
8
2853.415
387
Au
16
Si
8
2880.838
388
Au
16
Si
8
2881.894
389
Au
16
Si
8
2882.831
390
Au
16
Si
8
2881.276
391
Au
16
Si
8
2881.857
392
Au
16
Si
8
2910.075
393
Au
16
Si
8
2887.856
394
Au
16
Si
8
2888.937
395
Au
16
Si
8
2887.677
396
Au
16
Si
8
2882.765
397
Au
16
Si
8
2881.758
398
Au
16
Si
8
2888.137
399
Au
16
Si
8
2881.383
400
Au
16
Si
8
2888.591
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